3-ethyl-N-propyldodecan-2-amine

C17H37N — CID 63400125

IUPAC3-ethyl-N-propyldodecan-2-amine
SMILESCCCCCCCCCC(CC)C(C)NCCC
InChIInChI=1S/C17H37N/c1-5-8-9-10-11-12-13-14-17(7-3)16(4)18-15-6-2/h16-18H,5-15H2,1-4H3
InChIKeyFNXWUDZTFIVAOO-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.54
Rot. Bonds13

About 3-ethyl-N-propyldodecan-2-amine

3-ethyl-N-propyldodecan-2-amine (PubChem CID 63400125) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 3-ethyl-N-propyldodecan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-propyldodecan-2-amine
PubChem CID63400125
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name3-ethyl-N-propyldodecan-2-amine
SMILESCCCCCCCCCC(CC)C(C)NCCC
InChIInChI=1S/C17H37N/c1-5-8-9-10-11-12-13-14-17(7-3)16(4)18-15-6-2/h16-18H,5-15H2,1-4H3
InChIKeyFNXWUDZTFIVAOO-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-(3-ethylundecan-2-yl)undecan-2-amine
CID 122467616
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
8-ethyl-7-methylhexadecane
CID 56974440
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
9,10-diethyloctadecane
CID 530164
N-propylnonan-2-amine
CID 43129664
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
3-methyl-N-propylhexadecan-4-amine
CID 63717053
4-ethyl-3-methylundecane
CID 57279647

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyldodecan-2-amine?
The IUPAC name of 3-ethyl-N-propyldodecan-2-amine (CID 63400125) is 3-ethyl-N-propyldodecan-2-amine.
What is the SMILES notation for 3-ethyl-N-propyldodecan-2-amine?
The canonical SMILES for 3-ethyl-N-propyldodecan-2-amine is CCCCCCCCCC(CC)C(C)NCCC.
What is the InChIKey of 3-ethyl-N-propyldodecan-2-amine?
The InChIKey is FNXWUDZTFIVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-5-8-9-10-11-12-13-14-17(7-3)16(4)18-15-6-2/h16-18H,5-15H2,1-4H3.
What are the key properties of 3-ethyl-N-propyldodecan-2-amine?
3-ethyl-N-propyldodecan-2-amine has a molecular weight of 255.49 g/mol, XLogP of 5.54, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyldodecan-2-amine is sourced from PubChem (CID 63400125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).